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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50336859'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336859
PNG
((R)-2-(2-fluoroethoxy)-6-methyl-5,6,6a,7-tetrahydr...)
Show SMILES CN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H20FNO3/c1-21-6-4-12-8-13(24-7-5-20)10-14-17(12)15(21)9-11-2-3-16(22)19(23)18(11)14/h2-3,8,10,15,22-23H,4-7,9H2,1H3/t15-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336859
PNG
((R)-2-(2-fluoroethoxy)-6-methyl-5,6,6a,7-tetrahydr...)
Show SMILES CN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H20FNO3/c1-21-6-4-12-8-13(24-7-5-20)10-14-17(12)15(21)9-11-2-3-16(22)19(23)18(11)14/h2-3,8,10,15,22-23H,4-7,9H2,1H3/t15-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair